Geometry & MOs

Info

ID:

181119

PubChem CID:

76715631

Reduced:

ClSN3O7C31H38 (1)

Stoich.:

ABC3D7E31F38 (1)

Weight, g/mol:

737.260471

ΔHf, kcal/mol:

-219.01

Dipole, Da:

2.41

IP(EA), eV:

 -9.42(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-[(3-fluorophenyl)methyl]-18-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCCC=CC2CC2(CC(=O)C3CC(CN3C1=O)OC4=NC5=C(O4)C=CC(=C5)Cl)C(=O)NS(=O)(=O)C6(CC6)C

DOS

IR

Vibrations